SCHEMBL3237995

SCHEMBL3237995

O=C(O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.53
BCAT2 O15382 18/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methane SCHEMBL23535163 0.99 BCAT1 (0.53) BCAT1BCAT2
SCHEMBL6638343 0.91 BCAT1 (0.53) BCAT1BCAT2
SCHEMBL29981219 0.90 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL6639049 0.90 BCAT1 (0.52) BCAT1BCAT2
Methane SCHEMBL27842573 0.89 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL3264126 0.89 BCAT1 (0.60) BCAT1BCAT2
SCHEMBL16671007 0.86 BCAT1 (0.49) BCAT1BCAT2
SCHEMBL6635723 0.84 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL7023417 0.83 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL6637288 0.83 BCAT1 (0.51) BCAT1BCAT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160242419-A1 Herbicidal Compositions Containing N-(1,3,4-oxadiazol-2-yl)-aryl Carboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-25 US claimed
US-10111435-B2 Herbicidal compositions containing N-(1,3,4-oxadiazol-2-yl)-aryl carboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-30 US disclosed
US-20160242419-A1 Herbicidal Compositions Containing N-(1,3,4-oxadiazol-2-yl)-aryl Carboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-25 US disclosed
EP-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US disclosed
EP-1397958-B1 STEM/LEAF DESICCANT SUMITOMO CHEMICAL CO (JP) 2007-01-10 EP disclosed
EP-1736052-A2 Stem/leaf desiccant Sumitomo Chemical Company, Limited (JP) 2006-12-27 EP disclosed
US-20060234865-A1 Using an acylurea compound containing pyrimidine ring;; used before the harvest of crops such as potato, sunflower, soybean, rape, sorghum and the like; methyl [2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetate SUMITOMO CHEMICAL COMPANY, LIMITED 2006-10-19 US disclosed
US-7115544-B2 Plant growth regulators for cotton hervest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-03 US disclosed
US-7109148-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-19 US disclosed
US-20040152597-A1 Plant growth regulators for cotton hervest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-08-05 US disclosed
US-20040138063-A1 Using an acylurea compound containing pyrimidine ring SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 US disclosed
EP-1397958-A1 STEAM/LEAF DESSICANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10111435-B2 Herbicidal compositions containing N-(1,3,4-oxadiazol-2-yl)-aryl carboxylic acid amides AADAC, DDT, DNPH1 BCAT1 649/4885BCAT2 442/4885
US-20040152597-A1 Plant growth regulators for cotton hervest GHDC, CBR3, CBR1 BCAT1 40/4885BCAT2 428/4885
US-20060234865-A1 Using an acylurea compound containing pyrimidine ring;; used before the harvest of crops such as potato, sunflower, soybean, rape, sorghum and the like; methyl [2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetate CPS1, H1-0, H1-3 BCAT1 433/4885BCAT2 1037/4885
US-20160242419-A1 Herbicidal Compositions Containing N-(1,3,4-oxadiazol-2-yl)-aryl Carboxylic Acid Amides AADAC, DDT, DNPH1 BCAT1 649/4885BCAT2 442/4885
US-20040138063-A1 Using an acylurea compound containing pyrimidine ring CPS1, ACACA, ODC1 BCAT1 349/4885BCAT2 1020/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.